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2,6-Pyridinedicarboxylic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexadecyl ester
SpectraBase Compound ID 9bE64wfRymb
InChI InChI=1S/C27H38F7NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-38-23(36)21-17-16-18-22(35-21)24(37)39-20-25(28,29)26(30,31)27(32,33)34/h16-18H,2-15,19-20H2,1H3
InChIKey CGTDOKMQJHKUIQ-UHFFFAOYSA-N
Mol Weight 573.6 g/mol
Molecular Formula C27H38F7NO4
Exact Mass 573.268906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HcQ8D9wdG3D
Name 2,6-Pyridinedicarboxylic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38F7NO4
InChI InChI=1S/C27H38F7NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-38-23(36)21-17-16-18-22(35-21)24(37)39-20-25(28,29)26(30,31)27(32,33)34/h16-18H,2-15,19-20H2,1H3
InChIKey CGTDOKMQJHKUIQ-UHFFFAOYSA-N
Molecular Weight 573.593 g/mol
SMILES C(OC(c1nc(ccc1)C(OCC(C(C(F)(F)F)(F)F)(F)F)=O)=O)CCCCCCCCCCCCCCC
SPLASH splash10-0zfr-7309000000-b91dc09c721534474f55
Source of Spectrum TIPS-2023-998-0
Wiley ID 1885704